Structure of PDB 3vdf Chain A Binding Site BS04

Receptor Information

>3vdf Chain A (length=335) Species: 9913 (Bos taurus)

YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADA
LNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKK
ANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSC
APGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVA
FVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAV
APNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLF
NDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCS

Ligand information

• Ligand ID: API
• InChI: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
• InChIKey: GMKMEZVLHJARHF-SYDPRGILSA-N
• SMILES:
  CACTVS 3.370: N[CH](CCC[CH](N)C(O)=O)C(O)=O
  OpenEye OEToolkits 1.7.2: C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.7.2: C(CC(C(=O)O)N)CC(C(=O)O)N
  CACTVS 3.370: N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O
  ACDLabs 12.01: O=C(O)C(N)CCCC(C(=O)O)N
• Formula: C7 H14 N2 O4
• Name: 2,6-DIAMINOPIMELIC ACID
• ChEMBL: CHEMBL415306
• ZINC: ZINC000001532722
• PDB chain: 3vdf Chain A Residue 711

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vdf Crystal Structure of C-lobe of Bovine lactoferrin Complexed with diaminopimelic acid at 1.46 A Resolution
• Resolution: 1.46 Å
• Binding residue (original residue number in PDB): H588 L589 A590 Y665
• Binding residue (residue number reindexed from 1): H247 L248 A249 Y324
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.-

Gene Ontology

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3vdf, PDBe:3vdf, PDBj:3vdf
• PDBsum: 3vdf
• UniProt: P24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)